Selenogallate

Selenogallates (or selenidogallates) are chemical compounds which contain anionic units of selenium connected to gallium. They can be considered as gallates where selenium substitutes for oxygen. Similar compounds include the thiogallates and selenostannates. They are in the category of chalcogenotrielates or more broadly chalcogenometallates.[1]

Formation

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Selenogallates may be produced by heating a metal azide with gallium monoselenide and selenium in a sealed tube.[1]

Selenogallates containing Se2 units are formed by heating with selenium. Conversely, by heating, extra selenium vapour can be lost forming a compound with less selenium.[2]

Properties

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Most selenogallates are semiconductors. Their resistance drops on exposure to light. Also selenogallates are often coloured, most often red.

Selenogallate structures can include rings such as the four-membered ring: [GaSeGaSe] or the five-membered [GaSeSeGaSe]. These can be linked into chains.

Use

[edit]

Selenogallates are primarily of research interest. They are being researched for photovoltaic cells where efficiencies over 20% are possible,[3] and for photoconductors, and non-linear optical devices.

List

[edit]
name chem mw crystal system space group unit cell Å volume density comment CAS

no

references
LiGaSe2 234.581 orthorhombic Pna21 a=6.8478 b=8.2575 c=6.5521 Z=4 370.5 4.206 band gap 3.39; SHG [4]
[H2dap]4Ga4Se10 dap = 1,2-diaminopropane monoclinic C2/c a 10.821 b 10.820 c 21.386, β 97.265° [5]
[(dienH2)(dienH)3]Ga5Se10 dien = diethylenetriamine monoclinic P21/c a 6.3116 b 13.748 c 47.890 β 90.640° chain [6]
[(tetaH2)3(teta)]Ga6Se12 teta = triethylenetetramine monoclinic Cc a 20.566 b 25.896 c 12.785 β 125.568° chain [6]
[bappH2][Ga2Se4] bapp =1,4-Bis-(3-aminopropyl)piperazine 657.63 triclinic P1 a=6.3517 b=7.8498 c=10.7818 α=71.457° β=84.925° γ=72.084° Z=1 484.93 2.30 yellow; [7]
[1,3-pdaH2][Ga2Se2(Se2)(Se3)] 1,3-pda = 1,3-diaminopropane monoclinic P21 a 7.5724 b 12.3856 c 8.0889 β 94.120° band gap 2.08 eV; GaSeSeSeGaSe & GaSeSeGaSe rings; red [8]
[1,4-bdaH2][Ga2Se3(Se2)] 1,4-bda = 1,4-diaminobutane monoclinic C2/c a 11.7660 b 11.7743 c 10.9763 β 110.170° band gap 2.32 eV; orange [8]
[Me2NH2]2[Ga2Se2(Se2)2] monoclinic P21/c a 14.13 b 8.456 c 14.07 β 100.32° band gap 2.07 eV; red [8]
α-[AEPH]2[Ga2Se2(Se2)2] AEP = N-(2-aminoethyl)piperazine monoclinic Pn a 6.981 b 15.436 c 11.831 β 91.462° band gap 1.93 eV; red [8]
β-[AEPH]2[Ga2Se2(Se2)2] monoclinic P21/c a 10.623 b 16.495 c 7.163 β 94.93° band gap 2.10 eV; red [8]
[Ga(en)3][Ga3Se7(en)] · H2O 1090.02 orthorhombic Pna21 a=14.279 b=9.616 c=19.676 Z=4 2701.6 2.680 bicyclic Ga3Se7 [9]
NaGaS2 monoclinic C2/c a 10.226 b 10.227 c 13.506 β 100.926° 1389.9 [10]
NaGaS2•H2O monoclinic C2/c a=9.5160 b=113986 c=17.8761 β=101.590 1899 [10]
NaGa3Se5 626.95 orthorhombic P212121 a=9.764 b=13.624 c=27.000 Z=16 3591.6 4.638 [11]
KGaSe2 266.74 monoclinic C2/c a = 10.878, b = 10.872, c = 15.380, β = 100.18° Z=16 1790.3 3.959 air stable; light yellow; mp=965 °C; [Ga4Se10]8− units connected into sheets; band gap 2.60 eV [12]
Cr2.37Ga3Se8 monoclinic C2/m magnetic semiconductor; band gap 0.26 eV [13]
MnGa2Se4 band gap 2.7 eV [14]
[Mn(en)3][Ga2Se5] en = Ethylenediamine 771.51 orthorhombic Pbcn a=9.772 b=15.297 c=13.749 Z=4 2055.2 2.50 red; {[Ga2Se5]2-}∞ chains Ga2Se2 and Ga2Se3 rings [7]
[Mn(dap)3]0.5GaSe2 orthorhombic Cmcm a 9.645 b 16.754 c 12.891 [5]
[Mn(atep)]Ga2S4 atep = 4-(2-aminoethyl)triethylenetetramine monoclinic P21/n a 9.909 b 11.947 c 14.831, β 102.268° [5]
[Co(en)3]Ga2Se orthorhombic Cmcm a 9.692 b 15.631 c 12.698 band gap 3.27 eV [6]
{[Ni(tepa)]2SO4}[Ni(tepa)(Ga4S6(SH)4)] tepa = tetraethylenepentamine monoclinic C2/c a 38.829 b 12.290 c 22.471 β 98.398° [5]
cupric selenogallate CuGaSe2 291.186 tetragonal a = 5.5963 c = 11.0036 Z=4 344.617 5.612 metallic grey [15]
ZnGa2Se4 tetragonal I42m [16]
ZnGa2Se4 cubic Fm3m >15.5GPa [16]
Na3Zn2Ga2Se4 519.90 tetragonal I41acd a 13.481 c 19.26 Z=16 3500 3.946 red [17]
Na6Zn3Ga2Se9 monoclinic C2/c a 16.71 b 16.69 c 13.79 β 101.346° [18]
KZn4Ga5Se12 R3 SHG [19]
LiGaGe2Se6 695.60 orthorhombic Fdd2 a 12.5035 b 23.710 c 7.1177 2110.1 4.336 brown; band gap 2.64 eV; mp=710 °C [20][21]
Li2Ga2GeS6 orthorhombic Fdd2 a=12.0796 b=22.73 c=6.84048 [22]
NaGaGe3Se8 monoclinic P21/c a 7.233 b 11.889 c 17.550 β 101.75° [23]
KGaGeSe4 497.25 monoclinic P21/c a=7.3552 b=12.4151 c=17.6213 β =97.026 Z=8 1597.02 4.136 yellow [24]
RbGaSe2 313.11 monoclinic C2/c a = 10.954, b = 10.949, c = 16.064, β = 99.841° Z=16 1898.2 4.382 colourless; mp=930 °C; ∞2[Ga4Se88−] layers of supertetrahedra; [1]
RbZn4Ga5Se12 R3 SHG [19]
RbGaGeSe4 543.62 orthorhombic Pnma a=17.5750 b=7.4718 c=12.4449 Z=8 1634.23 4.419 orange [24]
AgGaSe2 tetragonal I42d a = 5.9921, c = 10.883 5.71 transparent from 0.71 to 18 μm; band gap ~1.7 [25]
AgGa5Se8 P42m a=5.50 c=11.04 band gap 2.1 eV [25]
Ag9GaSe6 P213 band gap 0.56 eV [25]
Ag9GaSe6 cubic F43m a=11.126 [25]
LixAg1–xGaSe2 (x = 0.2–0.8) tetragonal I42d SHG [4]
Na0.45Ag0.55Ga3Se5 trigonal R32 a=13.466 c=16.495 Z=12 2590.5 SHG 1.9 × AGS [26]
KAg3Ga8Se14 2025.91 monoclinic Cm a 12.8805 b 11.6857 c 9.6600 β 115.998° Z=2 1306.87 5.148 orange [27]
AgGaGe5Se12 red; transparent for 0.6–16.5 μm; band gap 2.2 eV [28]
CdGa2Se4 tetragonal I4 a=5.3167 c=10.2858 Z=2 semiconductor [29][30]
CdGa2Se4 cubic F43m a=5.64 Z=4 >21 GPa metallic [30]
CdGa2Se4 cubic Fm3m a=5.03 Z=4 4-7.4 GPa [30]
KCd4Ga5Se12 trigonal R3 a 14.362 b 14.362 c 9.724 [31]
RbCd4Ga5Se12 trigonal R3 a 14.4055 b 14.4055 c 9.7688 band gap 2.19 eV; SHG=19×AgGaS2 [32][31]
InGaSe2 tetragonal I4/mcm a = 8.051, c = 6.317 Z=4 [33]
SnGa4Se7 622.08 monoclinic Pc a=7.269 b=6.361 c=12.408 β =106.556 Z=2 549.9 3.757 light yellow;SHG 3.8 × AgGaS2 [34]
KGaSnSe4-cP84 543.35 cubic Pa3 a=13.5555 Z=12 2490.8 4.347 red [24]
RbGaSnSe4-cP84 cubic Pa3 a=13.7200 Z=12 589.72 4.550 [24]
RbGaSn2Se6 866.33 trigonal R3 a=10.4697 c=9.476 Z=3 899.5 4.798 deep red [35]
SnGa2GeSe6 804.48 orthorhombic Fdd2 a = 47.195, b = 7.521, c = 12.183, Z = 16 4324 4.943 red; SHG 1.7 × AgGaS2
CsGaSe2-mC64 monoclinic C2/c a = 11.043, b = 11.015, c = 16.810, β = 99.49°, Z = 16 2016.7 light grey; layers of supertetrahedra ∞2[Ga4Se84–]; band gap 3.5 eV [36]
CsGaSe2-mC16 monoclinic C2/c a = 7.651, b = 12.552, c = 6.170, β = 113.62°, Z = 4 542.9 over 610 °C; chains ∞1[GaSe2–] [36]
CsGaSe3 monoclinic P21/c a=7.727, b=13.014, c=6.705, β=106.39°, Z=4 red; chains; band gap 2.25 eV [37]
Cs2Ga2Se5 800.07 monoclinic C2/c a = 15.3911, b = 7.3577, c = 12.9219, β = 126.395°, Z = 4 1177.89 4.51 yellow; ∞1[Ga2Se3(Se2)2–] band gap 1.95 eV [38]
Cs4Ga6Se11 triclinic P1 a=9.707 b=9.888 c=16.780 α=76.425° β=77.076° γ=60.876° 1356.3 ∞1[Ga6Se11]4– [39]
Cs6Ga2Se6 monoclinic P21/c a=8.480 b=13.644 c=11.115 β =126.22 Z=2 mp=685 °C; isolated double tetrahedra [Ga2Se6]6− [40]
Cs8Ga4Se10 triclinic P1 a= 7.870 b=9.420 c=11.282 α=103.84° β=93.43° γ=80.88° Z=1 4.42 tetrameric [41]
Cs10Ga6Se14 monoclinic C2/m a=18.233 b=12.889 c=9.668 β=108.20 Z=2 4.39 hexameric [41]
(Cs6Cl)6Cs3[Ga53Se96] 16671.51 trigonal R3m a = 11.990, c = 50.012 Z=1 6226.5 4.446 yellow; band gap 2.74 eV [42]
CsZn4Ga5Se12 trigonal R3 [19]
CsGaGeSe4 591.06 orthorhombic Pnma a=17.7666 b=7.5171 c=12.6383 Z=8 1687.9 4.652 white [24]
Cs2Ge3Ga6Se14 2007.41 P3m1 a=7.6396 c=13.5866 Z=1 686.72 4.854 black [43]
CsAgGa2Se4 monoclinic P21/c a=11.225, b=7.944, c=21.303, β=103.10, Z=8 1850.3 layered [44]
CsCd4Ga5Se12 trigonal R3 a 14.4204 b 14.4204 c 9.7803 band gap 2.21 eV; SHG=16×AgGaS2 [32][31]
BaGa4Se7 monoclinic Pc a = 7.625, b = 6.511, c = 14.702, β = 121.24° transparent between 0.47 and 18.0 μm; melts 968 °C; SHG [45][46]
Ba4Ga2Se8 132.48 monoclinic P21/c a=13.2393 b=6.4305 c=20.6432 β =104.3148 Z=4 1702.90 5.151 black air stable; band gap 1.51 eV [47][48]
Ba5Ga2Se8 orthorhombic Cmca a 23.433 b 12.461 c 12.214 band gap 2.51 eV [49]
Ba5Ga4Se10 1755.18 tetragonal I4/mcm a = 8.752, c = 13.971 Z = 2 1070.2 5.447 red; bicyclic ring with Ga-Ga bridge; band gap 2.20 eV [50]
Ba3GaSe4Cl orthorhombic Pnma a 12.691 b 9.870 c 8.716 [51]
Ba3GaSe4Br orthorhombic Pnma a = 12.8248, b = 9.9608, c = 8.7690 Z = 4 band gap 1.7 eV [52]
LiBa4Ga5Se12 1852.42 tetragonal P421c a 13.591 c 6.515 Z=2 1203.3 5.113 yellow; band gap 2.44 eV; SHG 1.7×AgGaS2 [32][53]
NaBaGaSe3 orthorhombic Pnma a 20.46 b 9.177 c 7.177 1347 colourless [54]
(Na0.60Ba0.70)Ga2Se4 tetragonal I4cm a 7.9549 c 6.2836 397.6 4.725 pale yellow [55]
KBa3Ga5Se10Cl2 tetragonal I4 a 8.6341 c 15.644 1166.2 band gap 2.04 eV; SHG=10×AgGaS2 [32][56]
MnBa4Ga4Se10Cl2 tetragonal I4 8.5858 c 15.7739 band gap 2.8 eV; SHG=30×AgGaS2 [32][57]
FeBa4Ga4Se10Cl2 tetragonal I4 a 8.578 c 15.717 band gap 1.88 eV [32][57]
CoBa4Ga4Se10Cl2 tetragonal I4 a 8.572 c 15.716 band gap 2.02 eV [32][57]
Cu0.5Ba4Ga4.5Se10Cl2 tetragonal I4 a 8.559 c 15.778 band gap 2.6 eV; SHG=39×AgGaS2 [32][57]
CuBa4Ga5Se12 P421c a = 13.598, c = 6.527, Z = 2 band gap 1.45 eV; SHG=3×AgGaS2 [32][58]
ZnBa4Ga4Se10Cl2 tetragonal I4 a 8.561 c 15.757 band gap 3.08 eV; SHG=59×AgGaS2 [32][57]
Ba10Zn7Ga6Se26 tetragonal I42m a 11.2907 c 21.760 Z=2 2774.0 5.151 yellow [59]
Ba4Ga4GeSe12 1848.35 tetragonal P421c a=13.5468 c=6.4915 Z=2 1191.29 5.153 orange yellow; band gap 2.18 eV [47][60]
BaGa2GeSe6 R3 [61]
RbBa3Ga5Se10Cl2 tetragonal I4 a 8.6629 c 15.6379 band gap 2.05 eV; SHG=20×AgGaS2 [32][56]
Ba2GaYSe5 triclinic P1 a 7.2876Å b 8.6597Å c 9.3876Å, α 103.51° β 103.04° γ 107.43° [62]
Ba4AgGaSe6 1199.44 orthorhombic Pnma a=9.1006 b=4.472 c=17.7572 Z=2 722.71 5.512 dark red; air stable; band gap 2.50 [63]
Ba4AgGa5Se12 1953.35 tetragonal P421c a 13.6544 c 6.5215 Z=2 1215.9 5.335 yellow [53]
Ba7AgGa5Se15 trigonal P31c a 10.0467 c 18.689 band gap 2.60 eV [64]
CdBa4Ga4Se10Cl2 tetragonal I4 a 8.611 c 15.805 band gap 3.05 eV; SHG=52×AgGaS2 [32][57]
Ba5CdGa6Se12 2401.82 orthorhombic Ama2 a=24.2458 b=19.1582 c=6.6208 Z=4 3075.4 5.187 yellow; air stable; band gap 2.60 eV; mp=866 °C [47][65]
BaGa2SnSe6 869.23 trigonal R3 a = 10.145, c = 9.249 Z = 3 824.4 5.253 red; SHG 5.2×AgGaS2 [66]
Ba4Ga4SnSe12 1894.45 tetragonal P421c a 13.607 c 6.509 Z=2 1205.2 5.221 red; band gap 2.16 eV [67]
Ba6Ga2SnSe11 1950.73 monoclinic P21/c a 18.715 b 7.109 c 19.165, β 103.29° 2481.5 5.221 red; bad gap 1.99 eV [67]
Ba2AsGaSe5 814.12 orthorhombic Pnma a = 12.632, b = 8.973, c = 9.203, Z = 4 1043.1 5.184 black [68]
CsBa3Ga5Se10Cl2 tetragonal I4 a 8.734 c 15.697 1197.6 band gap 2.08 eV; SHG=100×AgGaS2 [32][56]
NaLaGa4Se8 orthorhombic Fddd a 21.1979 b 21.1625 c 12.7216 [69]
La3MnGaSe7 1094.11 hexagonal P63 a 10.5894 c 6.3458 Z=2 616.25 5.896 black [70]
La3FeGaSe7 hexagonal P63 a=10.5042 c=6.3496 606.74 [71]
La3CoGaSe7 hexagonal P63 a=10.5104 c=6.3708 609.48 [71]
La3NiGaSe7 hexagonal P63 a=10.4826 c=6.3964 608.71 [71]
La3CuGaSe7 1102.71 hexagonal P63 a=10.626 c=6.392 Z=2 626.0 5.859 [47]
La3ZnGaSe7 1104.54 hexagonal P63 a=10.630 c=6.374 Z=2 623.7 5.881 [47]
La3Ag0.6GaSe7 hexagonal P63 a=10.6, c=6.4 Z=2 [72]
La3CdGaSe7 hexagonal P63 a=10.606 c=6.380 Z=2 621.5 6.153 [47]
Ba2GaLaSe5 orthorhombic Pnma a 12.5049 b 9.6288 c 8.7355 [73]
NaCeGa4Se8 orthorhombic Fddd a 21.141 b 21.138 c 12.712 [69]
Ce3CuGaSe7 1106.34 hexagonal P63 a=10.6007 c=6.3775 Z=2 620.65 5.920 [47]
Ba2GaCeSe5 orthorhombic Fddd a 12.494 b 9.599 c 8.738 [73]
Pr3CuGaSe7 1108.71 hexagonal P63 a=10.4181 c=6.3743 Z=2 599.16 6.146 [47]
NaNdGa4Se8 orthorhombic Fddd a 21.015 b 21.045 c 12.709 [69]
Nd3FeGaSe7 hexagonal P63 a 10.2453 c 6.4076 Z=2 582.47 [74]
Nd3CoGaSe7 hexagonal P63 a=10.2296 c=6.4272 582.47 [71]
Nd3NiGaSe7 hexagonal P63 a=10.2117 c=6.4066 578.57 [71]
Nd3CuGaSe7 1118.70 hexagonal P63 a=10.3426 c=6.3869 Z=2 591.7 6.279 [47]
Ba2GaNdSe5 triclinic P1 a 7.29Å b 8.7914Å c 9.47Å, α 103.77° β 102.91° γ 107.72° [62]
SmGa2Se4 rhombic a=21.34, b=21.60, c=12.74 [75]
Ba2GaSmSe5 triclinic P1 a 7.3017Å b 8.7635Å c 9.4554Å, α 103.672° β 102.963° γ 107.637° [62]
Gd3FeGaSe7 hexagonal P63 a 10.0762 c 6.4265 Z=2 [74]
Ba2GaGdSe5 triclinic P1 a 7.2834Å b 8.7062Å c 9.4079Å, α 103.65° β 103.02° γ 107.52° [62]
Dy3FeGaSe7 hexagonal P63 a 9.9956Å c 6.398 Z=2 [74]
Ba2GaDySe5 triclinic P1 a 7.2772Å b 8.6543Å c 9.3792Å, α 103.53° β 103.07° γ 107.43° [62]
Ba2GaErErSe5 triclinic P1 a 7.2721Å b 8.6258Å c 9.3621Å, α 103.41° β 103.13° γ 107.39° [62]
Ba2GaTbSe5 triclinic P1 a 7.309 b 8.719 c 9.433, α 103.548° β 103.039° γ 107.520° [73]
Ba2GaHoSe5 triclinic P1 a 7.2964 b 8.670 c 9.406, α 103.482° β 103.049° γ 107.423° [73]
Ba2GaTmSe5 triclinic P1 a 7.2884 b 8.6376 c 9.3823, α 103.429° β 103.075° γ 107.360° [73]
Ba2GaYbSe5 triclinic P1 a 7.2864 b 8.6257 c 9.3716, α 103.4154° β 103.0369° γ 107.3396° [73]
Ba2GaLuSe5 triclinic P1 a 7.2829 b 8.6120 c 9.368, α 103.362° β 103.051° γ 107.308° [73]
HgGa2Se4 [76]
KHg4Ga5Se12 2137.58 trigonal R3 a 14.3203 b 14.3203 c 9.7057 Z=3 1723.7 6.178 band gap 1.61 eV; SHG=20×AgGaS2 [32][77][78]
TlGaSe2 432.01 monoclinic C2/c a=10.760 b=10.762 c=15.626 β=100.19 Z=16 1780.8 6.445 black; layers of supertetrahedra; mp 804 °C; band gap 1.87 eV [79]
TlGaGeSe4 662.52 orthorhombic Pnma a=17.4742 b=7.4105 c=11.9406 Z=8 1546.22 5.692 [24]
Tl2Ga2GeSe6 tetragonal I4/mmc a=8.0770 c=6.2572 Z=4 [80]
Tl0.8Ga0.8Ge1.2Se4-mC112 622.22 monoclinic C2/c a=13.5831 b=7.4015 c=30.7410 β =96.066 Z=16 3073.3 5.379 red [24]
TlGaSnSe4-mP56 701.04 monoclinic P21/c a=7.501 b=12.175 c=18.203 β =97.164 Z=8 1649.4 5.646 red [24]
TlGaSnSe4-cP84 708.62 cubic Pa3 a=13.4755 Z=12 2447.0 5.770 red [24]
Tl2Ga2SnSe6 tetragonal I4/mmc a=8.095 c=6.402 Z=4 [80]
TlGaSn2Se6 R3 a=10.3289 c=9.4340 871.64 5.6301 dark grey in bulk; maroon powder [81]
PbGa2Se4 662.47 orthorhombic Fddd a =12.73 b=21.26 c=21.55 Z=32 5830 6.036 yellow to red; mp 780 °C; band gap 1.83 eV [82][83]
Pb0.72Mn2.84Ga2.95Se8 hexagonal P6 a 17.550 c 3.8916 [84]
PbGa2GeSe6 orthorhombic Fdd2 mp 720 °C biaxial (−) [61]
Pb4Ga4GeSe12 tetragonal P421c a = 13.064 c = 6.310 Z=2 [85]
Ba2GaBiSe5 orthorhombic Pnma a=12.691 b=9.190 c=9.245 Z=4 1078.2 5.841 yellow [86]

References

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